Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | LIG1 | P18858 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PDE9A | O76083 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5970039 | 0.91 | ABL1 (0.47) | NPC1RAB9AKMT2ALIG1ADORA2B | |
| SCHEMBL5970324 | 0.88 | ATM (0.47) | KMT2ACLK4ADORA2BMAPTMEN1 | |
| SCHEMBL5970230 | 0.86 | ADORA2B (0.48) | NPC1RAB9AADORA2BMAPTHPSE | |
| SCHEMBL5971137 | 0.83 | ATM (0.51) | NPC1RAB9AKMT2ACLK4ADORA2B | |
| SCHEMBL5970144 | 0.81 | ADORA2B (0.47) | KMT2ALIG1ADORA2BHPSEKDM4E | |
| SCHEMBL5970239 | 0.80 | ADORA2B (0.51) | ADORA2BALDH1A1 | |
| SCHEMBL5970162 | 0.80 | ADORA2B (0.49) | NPC1RAB9AKMT2ACLK4ADORA2B | |
| SCHEMBL5970462 | 0.80 | ADORA2B (0.52) | KMT2AADORA2BMAPTHPSEMEN1 | |
| SCHEMBL5970527 | 0.78 | ADORA2B (0.57) | KMT2ALIG1ADORA2BMAPTKDM4E | |
| SCHEMBL5970374 | 0.78 | ADORA2B (0.48) | LIG1ADORA2BKDM4EALDH1A1MAPK14 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1658291-A2 | SUBSTITUTED 8-HETEROARYL XANTHINES | Adenosine Therapeutics, LLC (US) | 2006-05-24 | — | — | EP | claimed |
| WO-2005021548-A2 | SUBSTITUTED 8-HETEROARYL XANTHINES | ADENOSINE THERAPEUTICS, LLC (US) | 2005-03-10 | — | — | WO | claimed |